2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-methyl-1,3-benzoxazole

C20H20N4O — CID 127323044

IUPAC2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-methyl-1,3-benzoxazole
SMILESCc1ccc2oc(N3CCC(c4nc5ccccc5[nH]4)CC3)nc2c1
InChIInChI=1S/C20H20N4O/c1-13-6-7-18-17(12-13)23-20(25-18)24-10-8-14(9-11-24)19-21-15-4-2-3-5-16(15)22-19/h2-7,12,14H,8-11H2,1H3,(H,21,22)
InChIKeyYXCLVEGNDZCKRE-UHFFFAOYSA-N
MW332.41 g/mol
LogP4.40
Rot. Bonds2

About 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-methyl-1,3-benzoxazole

2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-methyl-1,3-benzoxazole (PubChem CID 127323044) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-methyl-1,3-benzoxazole
PubChem CID127323044
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-methyl-1,3-benzoxazole
SMILESCc1ccc2oc(N3CCC(c4nc5ccccc5[nH]4)CC3)nc2c1
InChIInChI=1S/C20H20N4O/c1-13-6-7-18-17(12-13)23-20(25-18)24-10-8-14(9-11-24)19-21-15-4-2-3-5-16(15)22-19/h2-7,12,14H,8-11H2,1H3,(H,21,22)
InChIKeyYXCLVEGNDZCKRE-UHFFFAOYSA-N
XLogP4.40
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1,3-benzoxazole
CID 70720553
2-[4-(2-fluorophenyl)piperazin-1-yl]-5-methyl-1,3-benzoxazole
CID 101403141
2-[1-(3-methylsulfonyl-2-nitrophenyl)piperidin-4-yl]-1H-benzimidazole
CID 133393278
6-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 60520703
4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine
CID 24590020
2-(1-ethylsulfonylpiperidin-4-yl)-1H-benzimidazole
CID 4626342
5-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 146025140
2-(1-butylpiperidin-4-yl)-1H-benzimidazole
CID 150629700
2-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-1H-benzimidazole
CID 18148631
[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone
CID 1452977
[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 99780038
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95587171

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-methyl-1,3-benzoxazole?
The IUPAC name of 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-methyl-1,3-benzoxazole (CID 127323044) is 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-methyl-1,3-benzoxazole.
What is the SMILES notation for 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-methyl-1,3-benzoxazole?
The canonical SMILES for 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-methyl-1,3-benzoxazole is Cc1ccc2oc(N3CCC(c4nc5ccccc5[nH]4)CC3)nc2c1.
What is the InChIKey of 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-methyl-1,3-benzoxazole?
The InChIKey is YXCLVEGNDZCKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-13-6-7-18-17(12-13)23-20(25-18)24-10-8-14(9-11-24)19-21-15-4-2-3-5-16(15)22-19/h2-7,12,14H,8-11H2,1H3,(H,21,22).
What are the key properties of 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-methyl-1,3-benzoxazole?
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-methyl-1,3-benzoxazole has a molecular weight of 332.41 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-methyl-1,3-benzoxazole is sourced from PubChem (CID 127323044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).